(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine

C14H10ClF3IN — CID 103215160

IUPAC(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H10ClF3IN/c15-11-7-9(3-6-12(11)19)13(20)8-1-4-10(5-2-8)14(16,17)18/h1-7,13H,20H2
InChIKeyKZUFFNHVTORDMK-UHFFFAOYSA-N
MW411.59 g/mol
LogP5.01
Rot. Bonds2

About (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine

(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 103215160) has the molecular formula C14H10ClF3IN and a molecular weight of 411.59 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID103215160
Molecular FormulaC14H10ClF3IN
Molecular Weight411.59 g/mol
Exact Mass410.95
IUPAC Name(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H10ClF3IN/c15-11-7-9(3-6-12(11)19)13(20)8-1-4-10(5-2-8)14(16,17)18/h1-7,13H,20H2
InChIKeyKZUFFNHVTORDMK-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 103215186
(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105077091
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
CID 138986692
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
(3-chloro-4-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 103219936
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 106691938

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 103215160) is (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)c1ccc(I)c(Cl)c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KZUFFNHVTORDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3IN/c15-11-7-9(3-6-12(11)19)13(20)8-1-4-10(5-2-8)14(16,17)18/h1-7,13H,20H2.
What are the key properties of (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 411.59 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103215160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).